D0J2NB
TL;DR: D0J2NB (CAS 169328-25-0) is a chemical compound with molecular formula C25H21K2N7O3S and molecular weight 577.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;2-[[5-ethyl-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]-1,3,4-thiadiazol-2-ylidene]carbamoyl]cyclopentene-1-carboxylate
Also Known As: WK-1492-2K, dipotassium;2-[[5-ethyl-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]-1,3,4-thiadiazol-2-ylidene]carbamoyl]cyclopentene-1-carboxylate
| Molecular Formula | C25H21K2N7O3S |
|---|---|
| Molecular Weight | 577.07 g/mol |
| LogP | -4.3028 |
| Topological Polar Surface Area | 140.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 577.07007 |
| Heavy Atoms | 38 |
| Complexity | 1527.0393 |
Chemical Identifiers
| CAS Number | 169328-25-0 |
|---|---|
| SMILES | CCC1=NN(C(=NC(=O)C2=C(CCC2)C(=O)[O-])S1)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=N[N-]5.[K+].[K+] |
Product Overview
D0J2NB (CAS 169328-25-0), with molecular formula C25H21K2N7O3S and molecular weight 577.07 g/mol. IUPAC: dipotassium;2-[[5-ethyl-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]-1,3,4-thiadiazol-2-ylidene]carbamoyl]cyclopentene-1-carboxylate.
Chemical Property Profile of D0J2NB
Property Insights of D0J2NB
The XLogP value of -4.3028 indicates that D0J2NB is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.15 Ų indicates high polarity, suggesting D0J2NB may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D0J2NB has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D0J2NB?
The CAS number of D0J2NB is 169328-25-0.
What is the molecular formula of D0J2NB?
The molecular formula of D0J2NB is C25H21K2N7O3S.
What is the molecular weight of D0J2NB?
The molecular weight of D0J2NB is 577.07 g/mol.
Where can I buy D0J2NB?
You can request a quote for D0J2NB directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D0J2NB?
Yes, KEHONG BIO provides custom synthesis services for D0J2NB and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.